null

SMILES OC(=O)CCNCc1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)cc1

InChI Key InChIKey=ORHOSJNREFXVLJ-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50313363   

TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
MERCK SERONO SA

US Patent
LigandPNGBDBM50313363(3-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimi...)copy SMILEScopy InChI
Affinity DataKi:  9nM ΔG°:  -10.2kcal/molepH: 7.4 T: 2°CAssay Description:Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRI...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2H993ZKUS Patent
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
MERCK SERONO SA

US Patent
LigandPNGBDBM50313363(3-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimi...)copy SMILEScopy InChI
Affinity DataEC50:  1.09E+6nMpH: 7.4 T: 2°CAssay Description:Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 µg protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElm...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2H993ZKUS Patent
TargetBcl-2-related protein A1(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50313363(3-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimi...)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27D2VCZPubMed
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
MERCK SERONO SA

US Patent
LigandPNGBDBM50313363(3-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimi...)copy SMILEScopy InChI
Affinity DataEC50:  1.09E+3nMAssay Description:Agonist activity at S1P3 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J38SQKPubMed
TargetSphingosine 1-phosphate receptor 5(Homo sapiens (Human))
Merck Serono SA

Curated by ChEMBL
LigandPNGBDBM50313363(3-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimi...)copy SMILEScopy InChI
Affinity DataEC50:  6.30nMAssay Description:Agonist activity at S1P5 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J38SQKPubMed
TargetBcl-2-related protein A1(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50313363(3-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimi...)copy SMILEScopy InChI
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27D2VCZPubMed
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
MERCK SERONO SA

US Patent
LigandPNGBDBM50313363(3-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimi...)copy SMILEScopy InChI
Affinity DataEC50:  19nMpH: 7.4 T: 2°CAssay Description:Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 µg protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElm...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2H993ZKUS Patent
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
MERCK SERONO SA

US Patent
LigandPNGBDBM50313363(3-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimi...)copy SMILEScopy InChI
Affinity DataEC50:  19nMAssay Description:Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J38SQKPubMed